SCHEMBL50658

SCHEMBL50658

CC(C)(C)c1csc(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
POLB P06746 1/20 0.32
MAPK14 Q16539 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
KIF11 P52732 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8130441 0.83 KIF11 (0.33) GABRA1GABRB2KIF11
SCHEMBL13010764 0.83 KIF11 (0.33) KIF11
SCHEMBL20933012 0.83 MAPK14 (0.32) GABRA1GABRB2MAPK14
SCHEMBL25532127 0.81 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL24654885 0.80
SCHEMBL7379691 0.78 KIF11 (0.31) KIF11
SCHEMBL19187341 0.77 GABRA1 (0.33) GABRA1GABRB2POLBALDH1A1HPGD
SCHEMBL25529751 0.77
SCHEMBL21163392 0.75
SCHEMBL10022930 0.74 CES2 (0.36) MAPK14ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 149 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428202-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM ExxonMobil Chemical Patents Inc. (US) 2019-01-16 EP claimed
US-9611348-B2 Process of producing polyolefins using metallocene polymerization catalysts and copolymers therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-04-04 US claimed
EP-2984111-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM ExxonMobil Chemical Patents Inc. (US) 2016-02-17 EP claimed
US-20140316085-A1 Process of Producing Polyolefins Using Metallocene Polymerization Catalysts and Copolymers Therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2014-10-23 US claimed
WO-2014169017-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-10-16 WO claimed
WO-2004107859-A2 NOVEL HERBAL MOSQUITO REPELLENT COMPOSITIONS IYER GANESH NATRAJAN (IN) 2004-12-16 WO claimed
US-20040223998-A1 Insect repellent IYER GANESH NATRAJAN (IN) 2004-11-11 US claimed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-11813330-B2 Sonodynamic therapy using sonodynamically activated coordination complexes of transition metals as sensitizing agents THERALASE TECHNOLOGIES, INC. (CA) 2023-11-14 US disclosed
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2023-11-02 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
WO-2007107758-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2007-09-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040223998-A1 Insect repellent LSS, BCHE, L3MBTL4 GABRA1 2413/4885GABRB2 1978/4885POLB 4194/4885
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 GABRA1 3885/4885GABRB2 4230/4885POLB 1132/4885
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 GABRA1 4737/4885GABRB2 4642/4885POLB 38/4885
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B GABRA1 2283/4885GABRB2 2445/4885POLB 2160/4885
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 GABRA1 3613/4885GABRB2 3687/4885POLB 273/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 GABRA1 126/4885GABRB2 162/4885POLB 3758/4885
US-11813330-B2 Sonodynamic therapy using sonodynamically activated coordination complexes of transition metals as sensitizing agents SON, SSBP1, PIEZO1 GABRA1 4112/4885GABRB2 4595/4885POLB 384/4885
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, MAP3K19, MAP4K2 GABRA1 2311/4885GABRB2 1809/4885POLB 2427/4885
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use NR1H2, NR1H3, HRH2 GABRA1 399/4885GABRB2 445/4885POLB 4251/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.